2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one

C21H23NO — CID 169256334

IUPAC2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(=O)c2cccc(C)c2[nH]1
InChIInChI=1S/C21H23NO/c1-13-7-6-8-17-19(23)12-18(22-20(13)17)16-10-9-15(11-14(16)2)21(3,4)5/h6-12H,1-5H3,(H,22,23)
InChIKeyUWEFOJVZLBXDDK-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.11
Rot. Bonds1

About 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one

2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one (PubChem CID 169256334) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one
PubChem CID169256334
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(=O)c2cccc(C)c2[nH]1
InChIInChI=1S/C21H23NO/c1-13-7-6-8-17-19(23)12-18(22-20(13)17)16-10-9-15(11-14(16)2)21(3,4)5/h6-12H,1-5H3,(H,22,23)
InChIKeyUWEFOJVZLBXDDK-UHFFFAOYSA-N
XLogP5.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-tert-butyl-2-methylphenyl)-1H-quinolin-4-one
CID 169256966
2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781798
2-(4-tert-butyl-2-ethylphenyl)-1H-quinolin-4-one
CID 169256836
5-tert-butyl-2-(2-methylphenyl)-1H-indole
CID 131887127
2-(4-tert-butyl-2-methylphenyl)-7-fluoro-4-oxo-1H-quinoline-5-carbonitrile
CID 169256867
2-tert-butyl-3,7-dimethyl-1H-indole
CID 59397804
2-(4-tert-butyl-5-chloro-2-methylphenyl)-8-methyl-1H-1,6-naphthyridin-4-one
CID 169256185
8-amino-2-methyl-1H-quinolin-4-one
CID 21448150
4-amino-8-methyl-1H-quinolin-2-one
CID 14627645
2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane
CID 145258701
2-(4-tert-butyl-2-methylphenyl)-6-fluoro-3-methyl-1H-quinolin-4-one
CID 169256709
5-(dimethylamino)-3-(2-methylphenyl)-2H-isoquinolin-1-one
CID 138973369

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one?
The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one (CID 169256334) is 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one is Cc1cc(C(C)(C)C)ccc1-c1cc(=O)c2cccc(C)c2[nH]1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one?
The InChIKey is UWEFOJVZLBXDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-13-7-6-8-17-19(23)12-18(22-20(13)17)16-10-9-15(11-14(16)2)21(3,4)5/h6-12H,1-5H3,(H,22,23).
What are the key properties of 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one?
2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one has a molecular weight of 305.42 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 169256334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).